(1S,2S)-2-[(2S)-2-azanyl-1-oxidanyl-1-oxidanylidene-3-(3H-xanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-[(2S)-2-azanyl-1-oxidanyl-1-oxidanylidene-3-(3H-xanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid Openeye Name: (1S,2S)-2-[(1S)-1-amino-2-hydroxy-2-oxo-1-(3H-xanthen-9-ylmethyl)ethyl]cyclopropanecarboxylic acid CAS Name: (1S,2S)-2-[(2S)-2-amino-1-hydroxy-1-oxo-3-(3H-xanthen-9-yl)propan-2-yl]-1-cyclopropanecarboxylic acid IUPAC Name: (1S,2S)-2-[(2S)-2-amino-1-hydroxy-1-oxo-3-(3H-xanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid Traditional Name: (1S,2S)-2-[(1S)-1-amino-2-hydroxy-2-keto-1-(3H-xanthen-9-ylmethyl)ethyl]cyclopropanecarboxylic acid Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2=C(C3=CC=CC=C3OC2=C1)CC(C4CC4C(=O)O)(C(=O)O)N

Isomeric SMILES

C1C=CC2=C(C3=CC=CC=C3OC2=C1)C[C@]([C@H]4C[C@@H]4C(=O)O)(C(=O)O)N

InChI

InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-3,5-8,13,15H,4,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1